1-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C20H20F3N3O2S — CID 55529389

IUPAC1-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C(=O)C12CCCCC2
InChIInChI=1S/C20H20F3N3O2S/c1-25-18(28)26(17(27)19(25)9-3-2-4-10-19)11-15-12-29-16(24-15)13-5-7-14(8-6-13)20(21,22)23/h5-8,12H,2-4,9-11H2,1H3
InChIKeyRJXMQKASVOUTGT-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.93
Rot. Bonds3

About 1-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

1-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 55529389) has the molecular formula C20H20F3N3O2S and a molecular weight of 423.46 g/mol. Its IUPAC name is 1-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID55529389
Molecular FormulaC20H20F3N3O2S
Molecular Weight423.46 g/mol
Exact Mass423.12
IUPAC Name1-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C(=O)C12CCCCC2
InChIInChI=1S/C20H20F3N3O2S/c1-25-18(28)26(17(27)19(25)9-3-2-4-10-19)11-15-12-29-16(24-15)13-5-7-14(8-6-13)20(21,22)23/h5-8,12H,2-4,9-11H2,1H3
InChIKeyRJXMQKASVOUTGT-UHFFFAOYSA-N
XLogP4.93
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 55529389) is 1-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C(=O)C12CCCCC2.
What is the InChIKey of 1-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is RJXMQKASVOUTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2S/c1-25-18(28)26(17(27)19(25)9-3-2-4-10-19)11-15-12-29-16(24-15)13-5-7-14(8-6-13)20(21,22)23/h5-8,12H,2-4,9-11H2,1H3.
What are the key properties of 1-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
1-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 423.46 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 55529389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).